SCHEMBL21076651

SCHEMBL21076651

CCc1cc(C(C)C)c(OC(F)(F)F)cn1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 5/20 0.35
▸ P2RX2 Q9UBL9 5/20 0.35
▸ AAK1 Q2M2I8 2/20 0.35
▸ KCNK3 O14649 1/20 0.33
▸ KCNK9 Q9NPC2 1/20 0.33
▸ PGK1 P00558 1/20 0.32
▸ RXRA P19793 2/20 0.32
▸ HRH4 Q9H3N8 1/20 0.30
▸ GRIN1 Q05586 1/20 0.30
▸ GRIN2B Q13224 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18068091 0.79 KCNK3 (0.35) P2RX3P2RX2KCNK3KCNK9
SCHEMBL21076511 0.77 KCNK3 (0.33) P2RX3P2RX2AAK1KCNK3KCNK9
SCHEMBL21010496 0.76 AR (0.37) AAK1RXRAGRIN1GRIN2B
SCHEMBL21076633 0.75 KCNK3 (0.33) P2RX3P2RX2KCNK3KCNK9PGK1
SCHEMBL20642453 0.73 TLR9 (0.36) P2RX3P2RX2RXRAGRIN1GRIN2B
SCHEMBL20642400 0.72 P2RX3 (0.35) P2RX3P2RX2AAK1KCNK3KCNK9
SCHEMBL20642322 0.71 NOS3 (0.33) AAK1
SCHEMBL20642297 0.69 LMNA (0.32) P2RX3P2RX2
SCHEMBL25795554 0.69 LMNA (0.36) —
SCHEMBL15417381 0.69 NOS3 (0.38) AAK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10695348-B2 Sulfonyl pyridyl TRP inhibitors GENENTECH, INC. (US) 2020-06-30 — — US disclosed
US-20190167681-A1 SULFONYL PYRIDYL TRP INHIBITORS GENENTECH, INC. (US) 2019-06-06 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10695348-B2 Sulfonyl pyridyl TRP inhibitors TRPA1, TRPV1, TRPV5 P2RX3 13/4885P2RX2 25/4885AAK1 1156/4885
US-20190167681-A1 SULFONYL PYRIDYL TRP INHIBITORS TRPA1, TRPV1, TRPV5 P2RX3 13/4885P2RX2 25/4885AAK1 1156/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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